1-(1,3-benzodioxol-5-yl)-5-(ethylsulfanyl)-1H-tetraazole
TL;DR: 1-(1,3-benzodioxol-5-yl)-5-(ethylsulfanyl)-1H-tetraazole (CAS 429623-62-1) is a chemical compound with molecular formula C10H10N4O2S and molecular weight 250.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-5-ethylsulfanyltetrazole
Also Known As: 1-(1,3-benzodioxol-5-yl)-5-(ethylsulfanyl)-1H-tetraazole, BAS 03126968, 1-(1,3-benzodioxol-5-yl)-5-ethylsulfanyltetrazole, AN-648/40740083, 1-Benzo[1,3]dioxol-5-yl-5-ethylsulfanyl-1H-tetrazole
| Molecular Formula | C10H10N4O2S |
|---|---|
| Molecular Weight | 250.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 87.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.05244 |
| Heavy Atoms | 17 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 429623-62-1 |
|---|---|
| SMILES | CCSC1=NN=NN1C2=CC3=C(C=C2)OCO3 |
| InChIKey | ITPYLBFXCLIDDJ-UHFFFAOYSA-N |
Product Overview
1-(1,3-benzodioxol-5-yl)-5-(ethylsulfanyl)-1H-tetraazole (CAS 429623-62-1), with molecular formula C10H10N4O2S and molecular weight 250.05 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-5-ethylsulfanyltetrazole.
Chemical Property Profile of 1-(1,3-benzodioxol-5-yl)-5-(ethylsulfanyl)-1H-tetraazole
Property Insights of 1-(1,3-benzodioxol-5-yl)-5-(ethylsulfanyl)-1H-tetraazole
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-benzodioxol-5-yl)-5-(ethylsulfanyl)-1H-tetraazole. The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-benzodioxol-5-yl)-5-(ethylsulfanyl)-1H-tetraazole. Following Lipinski's Rule of Five, 1-(1,3-benzodioxol-5-yl)-5-(ethylsulfanyl)-1H-tetraazole has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(1,3-benzodioxol-5-yl)-5-(ethylsulfanyl)-1H-tetraazole?
The CAS number of 1-(1,3-benzodioxol-5-yl)-5-(ethylsulfanyl)-1H-tetraazole is 429623-62-1.
What is the molecular formula of 1-(1,3-benzodioxol-5-yl)-5-(ethylsulfanyl)-1H-tetraazole?
The molecular formula of 1-(1,3-benzodioxol-5-yl)-5-(ethylsulfanyl)-1H-tetraazole is C10H10N4O2S.
What is the molecular weight of 1-(1,3-benzodioxol-5-yl)-5-(ethylsulfanyl)-1H-tetraazole?
The molecular weight of 1-(1,3-benzodioxol-5-yl)-5-(ethylsulfanyl)-1H-tetraazole is 250.05 g/mol.
Where can I buy 1-(1,3-benzodioxol-5-yl)-5-(ethylsulfanyl)-1H-tetraazole?
You can request a quote for 1-(1,3-benzodioxol-5-yl)-5-(ethylsulfanyl)-1H-tetraazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-benzodioxol-5-yl)-5-(ethylsulfanyl)-1H-tetraazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-benzodioxol-5-yl)-5-(ethylsulfanyl)-1H-tetraazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.